1.0 2010-04-08 22:15:11 UTC 2019-11-26 03:19:16 UTC FDB020668 Vinaginsenoside R4 Constituent of Panax vietnamensis (Vietnamese ginseng). Vinaginsenoside R4 is found in tea. Vinaginsenoside R4 C48H82O19 963.1533 962.545030442 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-8,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-8,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3C(O)CC21C InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)63-42)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(44(3,4)40(45)24(53)17-47(28,46)7)65-43-39(36(59)33(56)27(20-51)64-43)66-41-37(60)34(57)31(54)25(18-49)62-41/h10,22-43,49-61H,9,11-20H2,1-8H3 UOJAEODBOCLNBU-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 12-hydroxysteroids 6-hydroxysteroids Acetals Alkyl glycosides Cyclic alcohols and derivatives Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides 12-hydroxysteroid 6-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Steroidal glycoside Triterpenoid logp 0.21 ALOGPS logs -2.92 ALOGPS solubility 1.15e+00 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 11.85 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-8,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 963.1533 ChemAxon mono_mass 962.545030442 ChemAxon smiles CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3C(O)CC21C ChemAxon formula C48H82O19 ChemAxon inchi InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)63-42)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(44(3,4)40(45)24(53)17-47(28,46)7)65-43-39(36(59)33(56)27(20-51)64-43)66-41-37(60)34(57)31(54)25(18-49)62-41/h10,22-43,49-61H,9,11-20H2,1-8H3 ChemAxon inchikey UOJAEODBOCLNBU-UHFFFAOYSA-N ChemAxon polar_surface_area 318.37 ChemAxon refractivity 236.07 ChemAxon polarizability 103.28 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 19 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 43702 Specdb::NmrOneD 43703 Specdb::NmrOneD 43704 Specdb::NmrOneD 43705 Specdb::NmrOneD 43706 Specdb::NmrOneD 43707 Specdb::NmrOneD 43708 Specdb::NmrOneD 43709 Specdb::NmrOneD 43710 Specdb::NmrOneD 43711 Specdb::NmrOneD 43712 Specdb::NmrOneD 43713 Specdb::NmrOneD 43714 Specdb::NmrOneD 43715 Specdb::NmrOneD 43716 Specdb::NmrOneD 43717 Specdb::NmrOneD 43718 Specdb::NmrOneD 43719 Specdb::NmrOneD 43720 Specdb::NmrOneD 43721 Specdb::MsMs 7397 Specdb::MsMs 7398 Specdb::MsMs 7399 Specdb::MsMs 14069 Specdb::MsMs 14070 Specdb::MsMs 14071 Specdb::MsMs 2362319 Specdb::MsMs 2362320 Specdb::MsMs 2362321 Specdb::MsMs 2600063 Specdb::MsMs 2600064 Specdb::MsMs 2600065 HMDB40843 #<Reference:0x000055ce31bdccc0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442